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4-(4-Bromo-benzyl-ideneamino)-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1-(mor-phol-ino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: There are two mol-ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol-ecules. The triazole ring forms dihedral angles of 4.84?(6) and 74.19?(6)°, respectively, with the bromo-phenyl and isobutylbenzene rings in mol-ecule A, and angles of 16.68?(7) and 87.29?(6)°, respectively, in mol-ecule B. Intra-molecular C-H?S hydrogen bonds generate S(5) and S(6) ring motifs in both independent mol-ecules. The crystal structure is stabilized by C-H?N, C-H?Br and C-H?O hydrogen-bonding inter-actions, together with C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2962191 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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4-(4-Bromo-benzyl-ideneamino)-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1-(mor-phol-ino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Jebas Samuel Robinson SR Patil P S PS Kalluraya B B Muralidharan A A

Acta crystallographica. Section E, Structure reports online 20080723 Pt 8

There are two mol-ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol-ecules. The triazole ring forms dihedral angles of 4.84 (6) and 74.19 (6)°, respectively, with the bromo-phenyl and isobutylbenzene rings in mol-ecule A, and angles of 16.68 (7) and 87.29 (6)°, respectively, in mol-ecule B. Intra-molecular C-H⋯S hydrogen bonds generate S(5) and S(6) ring motifs in ...[more]

PMID: 21203272

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